Crystallography Open Database

Information card for entry 4503211

Preview

Coordinates	4503211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 N8 Ni2 O8
Calculated formula	C36 H36 N8 Ni2 O8
Title of publication	Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands
Authors of publication	Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	606
a	15.389 ± 0.003 Å
b	9.4636 ± 0.0019 Å
c	12.728 ± 0.003 Å
α	90°
β	104.98 ± 0.03°
γ	90°
Cell volume	1790.7 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179563 (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 4/50/32.	4503211.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503211.cif
41416	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503211 via cif-deposit CGI script.	4503211.cif