Crystallography Open Database

Information card for entry 8105828

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Coordinates	8105828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H47 N5 Ni2 O13
Calculated formula	C53 H47 N5 Ni2 O13
Title of publication	Crystal structure of catena-poly[tetraaqua-bis(μ2-2-(4-carboxylatophenoxy)benzoato-κ2 O:O′)-pentakis(pyridine-κ1 N)dinickel(II)], C53H47N5Ni2O13
Authors of publication	Wu, Hao; Zhang, Li; Ma, Yun; Du, Weichao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	711 - 713
a	24.0549 ± 0.0015 Å
b	14.5539 ± 0.0004 Å
c	18.8986 ± 0.0011 Å
α	90°
β	130.953 ± 0.01°
γ	90°
Cell volume	4996.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0625
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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