Crystallography Open Database

Information card for entry 4334183

Preview

Coordinates	4334183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H57 In2 N11 O34
Calculated formula	C37 H20 In2 O20
Title of publication	Construction of a Polyhedral Metal-Organic Framework via a Flexible Octacarboxylate Ligand for Gas Adsorption and Separation
Authors of publication	Zu-Jin Lin; Yuan-Biao Huang; Tian-Fu Liu; Xiang-Ying Li; Rong Cao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3127 - 3132
a	12.7321 ± 0.0015 Å
b	13.5133 ± 0.0016 Å
c	25.484 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4384.6 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179444 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/41.	4334183.cif
99997	2014-02-04	cif/ Adding structures of 4334183 via cif-deposit CGI script.	4334183.cif