Crystallography Open Database

Information card for entry 7701970

7701969 << 7701970 >> 7701971

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Structure parameters

Formula	C88 H96 Cu10 F6 N48 Si
Calculated formula	C88 H96 Cu10 F6 N48 Si
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	22.2435 ± 0.0002 Å
b	26.0724 ± 0.0002 Å
c	26.5968 ± 0.0002 Å
α	90°
β	111.071 ± 0.001°
γ	90°
Cell volume	14393.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7701970.cif
231022	2019-11-19	cif/ Adding structures of 7701969, 7701970, 7701971, 7701972, 7701973, 7701974, 7701975, 7701976 via cif-deposit CGI script.	7701970.cif