Crystallography Open Database

Information card for entry 4503582

Preview

Coordinates	4503582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 N8 Ni2 O11
Calculated formula	C40 H28 N8 Ni2 O11
Title of publication	Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate
Authors of publication	Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3602
a	8.7128 ± 0.0017 Å
b	9.6086 ± 0.0019 Å
c	12.5 ± 0.003 Å
α	71.31 ± 0.03°
β	89.72 ± 0.03°
γ	80.33 ± 0.03°
Cell volume	975.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503582.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503582.cif
41646	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503582 via cif-deposit CGI script.	4503582.cif