Crystallography Open Database

Information card for entry 1507897

Preview

Coordinates	1507897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H82 Cl3 Gd N8 Ni2 O37
Calculated formula	C64 H72 Cl3 Gd N8 Ni2 O37
Title of publication	Syntheses, crystal structures and properties of lanthanide complexes featuring infinite molecular rectangle strands constructed from a new macrocyclic metalloligand
Authors of publication	Wang, D; Niu, C J; Li, X Z; Zhu, L N; Hao, P P
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	20 - 27
a	11.582 ± 0.002 Å
b	13.466 ± 0.003 Å
c	24.641 ± 0.005 Å
α	90°
β	98.69 ± 0.03°
γ	90°
Cell volume	3799 ± 1.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507897.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507897.cif
62443	2012-07-09	cif/ Adding structures of 1507897 via cif-deposit CGI script.	1507897.cif