Crystallography Open Database

Information card for entry 4064034

Preview

Coordinates	4064034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.2 H53 N12 O1.8 Sm Ti
Calculated formula	C39.2 H53 N12 O1.8 Sm Ti
Title of publication	Heterobimetallic Samarium(III) and Titanium(IV) Complexes with Bifunctional Catalytic Properties
Authors of publication	Zhou, Fengying; Lin, Miaoshui; Li, Lei; Zhang, Xueqing; Chen, Zhou; Li, Yahong; Zhao, Yang; Wu, Jin; Qian, Guimin; Hu, Bin; Li, Wu
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1283
a	10.58 ± 0.002 Å
b	13.715 ± 0.003 Å
c	15.855 ± 0.003 Å
α	102.19 ± 0.03°
β	101.24 ± 0.03°
γ	95.28 ± 0.03°
Cell volume	2184.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0699
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4064034.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064034.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064034.cif
32762	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064034 via cif-deposit CGI script.	4064034.cif