Crystallography Open Database

Information card for entry 8105423

Preview

Coordinates	8105423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H68 Co2 N3 O16
Calculated formula	C93 H68 Co2 N3 O16
Title of publication	Crystal structure of 4,4′-bis(pyridin-1-ium-4-yl)biphenyl poly[bis(μ2-4,4′-bis(pyrid-4-yl)biphenyl-K2 N:N′)-tetrakis(μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-K4 O,O′:O′′:O′′′)-bis[[μ2-1,1′-biphenyl]-3-carboxyl-5-carboxylato-K2 O:O′]tetracobalt(II)]— [1,1′-biphenyl]-3,5-dicarboxylic acid (1/2), C93H68N3O16Co2
Authors of publication	Tang, Qian-Qian; Li, Shi-Hui; Cheng, Zhan-Quan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	5
Pages of publication	1209 - 1212
a	9.9281 ± 0.0004 Å
b	19.1304 ± 0.0008 Å
c	22.0724 ± 0.001 Å
α	66.036 ± 0.004°
β	87.374 ± 0.004°
γ	85.61 ± 0.003°
Cell volume	3819.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276043 (current)	2022-06-15	cif/ Adding structures of 8105423 via cif-deposit CGI script.	8105423.cif