Crystallography Open Database

Information card for entry 4337367

Preview

Coordinates	4337367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 Ir3 N18 O13 Zn4
Calculated formula	C30 Ir3 N18.12 O13 Zn4
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	34.0239 ± 0.0015 Å
b	34.0239 ± 0.0015 Å
c	34.0239 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	39387 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1802
Residual factor for significantly intense reflections	0.1464
Weighted residual factors for significantly intense reflections	0.422
Weighted residual factors for all reflections included in the refinement	0.4455
Goodness-of-fit parameter for all reflections included in the refinement	1.639
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.	4337367.cif
106303	2014-03-15	cif/ Adding structures of 4337367 via cif-deposit CGI script.	4337367.cif