Crystallography Open Database

Information card for entry 7207977

7207976 << 7207977 >> 7207978

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Coordinates	7207977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H88 Co3 N16 O18 S2
Calculated formula	C88 H82 Co3 N16 O18 S2
Title of publication	Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates
Authors of publication	Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	3936
a	45.497 ± 0.002 Å
b	10.5235 ± 0.0005 Å
c	19.09 ± 0.0009 Å
α	90°
β	99.969 ± 0.001°
γ	90°
Cell volume	9002.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0616
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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