Crystallography Open Database

Information card for entry 7054764

Preview

Coordinates	7054764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H47 N3 P Sc
Calculated formula	C30 H47 N3 P Sc
SMILES	[Sc]12(Pc3c(cccc3C)C)([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)C
Title of publication	Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes
Authors of publication	Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7582
a	10.7097 ± 0.0015 Å
b	13.537 ± 0.002 Å
c	20.887 ± 0.003 Å
α	90°
β	93.806 ± 0.003°
γ	90°
Cell volume	3021.5 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1917
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054764.cif
162078	2015-10-09	cif/ Updating files of 7054763, 7054764, 7054765, 7054766 Original log message: Adding full bibliography for 7054763--7054766.cif.	7054764.cif
134134	2015-03-19	cif/ Adding structures of 7054763, 7054764, 7054765, 7054766 via cif-deposit CGI script.	7054764.cif