Crystallography Open Database

Information card for entry 4508647

Preview

Coordinates	4508647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Nd2 O14
Calculated formula	C42 H28 Nd2 O14
Title of publication	Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid
Authors of publication	Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	2029
a	20.969 ± 0.004 Å
b	21.511 ± 0.004 Å
c	8.3076 ± 0.0017 Å
α	90°
β	103.97 ± 0.03°
γ	90°
Cell volume	3636.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0308
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
179622 (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 4/50/86.	4508647.cif
96823	2014-01-29	cif/ Adding structures of 4508647 via cif-deposit CGI script.	4508647.cif