Cambridge Structural Database

Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition). The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.

成立于1965年，CSD（晶体结构数据库）作为小分子有机晶体和金属有机晶体结构的全球库，收录了超过一百万次X射线和中子衍射分析的结果。这一独特且精确的3D结构数据库已成为全球科学家不可或缺的研究资源。CSD记录了包括有机分子、通过X射线衍射和/或中子衍射确定三维结构的金属有机化合物在内的文献、化学和晶体学信息。CSD收录了单晶研究、粉末衍射研究的结果，这些研究至少为所有非氢原子提供了三维原子坐标数据。在某些情况下，CCDC（化学晶体数据中心）无法获取坐标，且不完整条目被存档于CSD中。CSD包括来自公开文献和致CSD的私人通信（通过直接数据沉积）的晶体结构数据。CSD包含直接沉积的数据，这些数据在其他地方均无法获取，被称为CSD通讯。