Crystallography Open Database

Information card for entry 4506444

Preview

Coordinates	4506444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Co N12 O20 Pr2
Calculated formula	C40 H24 Co N12 O20 Pr2
Title of publication	Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers
Authors of publication	Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	3927
a	9.1438 ± 0.001 Å
b	10.6529 ± 0.0012 Å
c	12.6229 ± 0.0014 Å
α	84.768 ± 0.003°
β	84.951 ± 0.003°
γ	63.115 ± 0.002°
Cell volume	1090.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179600 (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 4/50/64.	4506444.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506444.cif
66168	2012-09-09	cif/ Adding structures of 4506444 via cif-deposit CGI script.	4506444.cif