Crystallography Open Database

Information card for entry 8104860

Preview

Coordinates	8104860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H68 Co N18 O12
Calculated formula	C72 H68 Co N18 O12
Title of publication	Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12
Authors of publication	Li, Huixing; Han, Xinlong; Cao, Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	463 - 465
a	9.2801 ± 0.001 Å
b	11.6017 ± 0.0011 Å
c	16.4968 ± 0.0015 Å
α	96.294 ± 0.008°
β	96.371 ± 0.008°
γ	105.025 ± 0.009°
Cell volume	1687 ± 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	0.1283
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
273974 (current)	2022-03-25	cif/ Adding structures of 8104860 via cif-deposit CGI script.	8104860.cif