Crystallography Open Database

Information card for entry 8106802

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Coordinates	8106802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H31 Co2 N2 O12
Calculated formula	C47 H31 Co2 N2 O12
Title of publication	Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4 O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3 O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2 N:N′)tetracobalt(II)], C94H62O24N4Co4
Authors of publication	Gao, Ye
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	121 - 123
a	9.3604 ± 0.0011 Å
b	11.7945 ± 0.0014 Å
c	19.805 ± 0.002 Å
α	94.227 ± 0.002°
β	98.39 ± 0.002°
γ	98.965 ± 0.002°
Cell volume	2126.2 ± 0.4 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	0.1042
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
281232 (current)	2023-03-02	cif/ Adding structures of 8106802 via cif-deposit CGI script.	8106802.cif