Crystallography Open Database

Information card for entry 7710832

Preview

Coordinates	7710832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H77 Lu N6
Calculated formula	C56 H77 Lu N6
SMILES	[Lu]123(Cc4ccccc4[N]1(C)C)([N](C(C)C)=C(C)N2C(C)C)[N](c1c(cccc1C(C)C)C(C)C)=C(N3c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1
Title of publication	Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH
Authors of publication	Jiang, Wen; Zhang, Lijun; Zhang, Lixin
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.2506 ± 0.0014 Å
b	12.2916 ± 0.0017 Å
c	22.231 ± 0.003 Å
α	80.511 ± 0.002°
β	77.101 ± 0.002°
γ	69.932 ± 0.002°
Cell volume	2552.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
276987 (current)	2022-07-29	cif/ Adding structures of 7710832, 7710833, 7710834, 7710835, 7710836, 7710837, 7710838, 7710839, 7710840 via cif-deposit CGI script.	7710832.cif