Crystallography Open Database

Information card for entry 7701957

7701956 << 7701957 >> 7701958

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Coordinates	7701957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H72 Cd5 N O33
Calculated formula	C95 H72 Cd5 N O33
Title of publication	A series of host-guest coordination polymers containing viologens: syntheses, crystal Structures, thermo/photochromism and influence factors of the thermo/photochromic behaviors
Authors of publication	Kan, Wei-Qiu; He, Yuan-Chun; Wen, Shizheng; Zhao, Pu Su
Journal of publication	Dalton Transactions
Year of publication	2019
a	10.0972 ± 0.0006 Å
b	20.9553 ± 0.0011 Å
c	21.18 ± 0.0012 Å
α	75.06 ± 0.003°
β	83.715 ± 0.003°
γ	86.293 ± 0.003°
Cell volume	4300.9 ± 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	0.0846
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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