Crystallography Open Database

Information card for entry 4513638

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Coordinates	4513638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24 Cu2 N8 O56 P W12
Calculated formula	C48 H24 Cu2 N8 O56 P W12
Title of publication	Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism
Authors of publication	Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	4952
a	19.4044 ± 0.0006 Å
b	19.4044 ± 0.0006 Å
c	39.924 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15032.6 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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