Crystallography Open Database

Information card for entry 4121073

Preview

Coordinates	4121073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.81 H1.94 Ag0.13 F0.77 N0.39 O0.13 P0.13
Calculated formula	C1.80645 H1.93548 Ag0.129032 F0.774194 N0.387097 O0.129032 P0.129032
Title of publication	Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation
Authors of publication	Xiao-Ping Zhou; Yuan Wu; Dan Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	16062 - 16065
a	11.9135 ± 0.0006 Å
b	10.1334 ± 0.0007 Å
c	13.9442 ± 0.0006 Å
α	90°
β	99.587 ± 0.004°
γ	90°
Cell volume	1659.89 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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