Crystallography Open Database

Information card for entry 7054765

Preview

Coordinates	7054765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H51 Lu N3 O P
Calculated formula	C40 H51 Lu N3 O P
SMILES	[Lu]123([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)([O]=P(C3)(c1ccccc1)c1ccccc1)c1ccccc1
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	9.591 ± 0.0008 Å
b	23.0001 ± 0.0019 Å
c	17.0175 ± 0.0015 Å
α	90°
β	97.618 ± 0.002°
γ	90°
Cell volume	3720.8 ± 0.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
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	0.0674
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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.	7054765.cif
162078	2015-10-09	cif/ Updating files of 7054763, 7054764, 7054765, 7054766 Original log message: Adding full bibliography for 7054763--7054766.cif.	7054765.cif
134134	2015-03-19	cif/ Adding structures of 7054763, 7054764, 7054765, 7054766 via cif-deposit CGI script.	7054765.cif