Crystallography Open Database

Information card for entry 4506787

Preview

Coordinates	4506787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H100 Cu3 Gd2 N12 O32
Calculated formula	C54 H84 Cu3 Gd2 N12 O32
Title of publication	Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand
Authors of publication	Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4708
a	8.8492 ± 0.0009 Å
b	17.245 ± 0.002 Å
c	17.791 ± 0.002 Å
α	115.275 ± 0.003°
β	95.662 ± 0.003°
γ	103.865 ± 0.003°
Cell volume	2320.2 ± 0.5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.1088
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179603 (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 4/50/67.	4506787.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506787.cif
71812	2013-01-21	cif/ Adding structures of 4506786, 4506787 via cif-deposit CGI script.	4506787.cif