Crystallography Open Database

Information card for entry 8105528

Preview

Coordinates	8105528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 Cu3 F12 N4 O12
Calculated formula	C48 H30 Cu3 F12 N4 O12
Title of publication	Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2 O:O′)-bis((μ3-hexamethylenetetramine-κ3 N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3
Authors of publication	Wei, Xiao; Aiqin, Dong; Guang-Ming, Bao; Xiong-Xin, Peng; Ting-Ting, Sun; Chun-Yan, Hu; Hou-Qun, Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	25 - 27
a	12.9112 ± 0.0005 Å
b	28.1127 ± 0.0006 Å
c	14.2324 ± 0.0005 Å
α	90°
β	110.665 ± 0.004°
γ	90°
Cell volume	4833.5 ± 0.3 Å³
Cell temperature	173 ± 10 K
Ambient diffraction temperature	173 ± 10 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276280 (current)	2022-06-27	cif/ Adding structures of 8105528 via cif-deposit CGI script.	8105528.cif