Crystallography Open Database

Information card for entry 7054766

Preview

Coordinates	7054766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cl N3 O P Sc
Calculated formula	C40 H52 Cl N3 O P Sc
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	27.73 ± 0.004 Å
b	9.8425 ± 0.0015 Å
c	27.805 ± 0.004 Å
α	90°
β	92.963 ± 0.003°
γ	90°
Cell volume	7578.7 ± 1.9 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.214
Weighted residual factors for all reflections included in the refinement	0.2659
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7054766.cif
162078	2015-10-09	cif/ Updating files of 7054763, 7054764, 7054765, 7054766 Original log message: Adding full bibliography for 7054763--7054766.cif.	7054766.cif
134134	2015-03-19	cif/ Adding structures of 7054763, 7054764, 7054765, 7054766 via cif-deposit CGI script.	7054766.cif