Crystallography Open Database

Information card for entry 7701974

7701973 << 7701974 >> 7701975

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Structure parameters

Formula	C88 H96 Br Cu10 N48
Calculated formula	C88 H96 Br Cu10 N48
Title of publication	Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity
Authors of publication	Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Dalton Transactions
Year of publication	2019
a	19.2461 ± 0.0002 Å
b	19.2461 ± 0.0002 Å
c	14.4823 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5364.42 ± 0.14 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701974.cif
231022	2019-11-19	cif/ Adding structures of 7701969, 7701970, 7701971, 7701972, 7701973, 7701974, 7701975, 7701976 via cif-deposit CGI script.	7701974.cif