Crystallography Open Database

Information card for entry 4503583

Preview

Coordinates	4503583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H58 Mn4 N16 O17
Calculated formula	C80 H56 Mn4 N16 O17
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	10.144 ± 0.002 Å
b	13.937 ± 0.003 Å
c	15.24 ± 0.003 Å
α	116.36 ± 0.03°
β	101.66 ± 0.03°
γ	91.11 ± 0.03°
Cell volume	1876 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.201
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2507
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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.	4503583.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503583.cif
41647	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503583 via cif-deposit CGI script.	4503583.cif