Crystallography Open Database

Information card for entry 4345342

Preview

Coordinates	4345342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H62 In3 N3 O19
Calculated formula	C48 H62 In3 N3 O19
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	15.6729 ± 0.0002 Å
b	23.599 ± 0.0003 Å
c	18.2174 ± 0.0002 Å
α	90°
β	105.446 ± 0.001°
γ	90°
Cell volume	6494.61 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0524
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4345342.cif