Crystallography Open Database

Information card for entry 4337368

Preview

Coordinates	4337368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H0 Ir N8 O10 Zn2
Calculated formula	C55.2159 Ir1.0002 N4.0008 O10 Zn2
Title of publication	Functional Metal-Organic Frameworks via Ligand Doping: Influences of Ligand Charge and Steric Demand.
Authors of publication	Wang, Cheng; Liu, Demin; Xie, Zhigang; Lin, Wenbin
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1331 - 1338
a	18.3559 ± 0.0014 Å
b	26.314 ± 0.002 Å
c	42.406 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	20483 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1736
Residual factor for significantly intense reflections	0.1256
Weighted residual factors for significantly intense reflections	0.3232
Weighted residual factors for all reflections included in the refinement	0.3568
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179476 (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 4/33/73.	4337368.cif
106305	2014-03-15	cif/ Adding structures of 4337368 via cif-deposit CGI script.	4337368.cif