Crystallography Open Database

Information card for entry 4502090

4502089 << 4502090 >> 4502091

Preview

Coordinates	4502090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H150 Cl2 N26 Ni7 O36
Calculated formula	C132 H104 Cl2 N22 Ni7 O36
Title of publication	Metal−Organic Frameworks with Diverse Structures Constructed by Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal Methods
Authors of publication	Liu, Hong-Sheng; Lan, Ya-Qian; Li, Shun-Li
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	12
Pages of publication	5221
a	17.591 ± 0.0002 Å
b	22.781 ± 0.0003 Å
c	19.058 ± 0.0002 Å
α	90°
β	93.225 ± 0.001°
γ	90°
Cell volume	7625.22 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1303
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.2809
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502090.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502090.cif
36239	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502090, 4502091, 4502092 via cif-deposit CGI script.	4502090.cif