Crystallography Open Database

Information card for entry 4345347

Preview

Coordinates	4345347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 In3 O15
Calculated formula	C39 H39 In3 O15
Title of publication	Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.
Authors of publication	Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2188 - 2197
a	15.098 ± 0.0014 Å
b	24.007 ± 0.0014 Å
c	18.821 ± 0.0016 Å
α	90°
β	106.368 ± 0.009°
γ	90°
Cell volume	6545.3 ± 1 Å³
Cell temperature	353 ± 2 K
Ambient diffraction temperature	353 ± 2 K
Number of distinct elements	4
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	0.1983
Residual factor for significantly intense reflections	0.1076
Weighted residual factors for significantly intense reflections	0.2854
Weighted residual factors for all reflections included in the refinement	0.3409
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
192897 (current)	2017-03-04	cif/ Adding structures of 4345342, 4345343, 4345344, 4345345, 4345346, 4345347 via cif-deposit CGI script.	4345347.cif