Crystallography Open Database

Information card for entry 4511551

Preview

Coordinates	4511551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H38 N8 Ni2 O13
Calculated formula	C56 H38 N8 Ni2 O13
Title of publication	Effect of the Size of Aromatic Chelate Ligands on the Frameworks of Metal Dicarboxylate Polymers: From Helical Chains to 2-D Networks
Authors of publication	Han, Zheng-Bo; Cheng, Xiao-Ning; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	2
Pages of publication	695
a	16.2122 ± 0.0014 Å
b	16.0154 ± 0.0014 Å
c	20.1031 ± 0.0016 Å
α	90°
β	110.772 ± 0.002°
γ	90°
Cell volume	4880.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179662 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15.	4511551.cif
119734	2014-07-08	cif/ Adding structures of 4511548, 4511549, 4511550, 4511551 via cif-deposit CGI script.	4511551.cif