Crystallography Open Database

Information card for entry 7127478

Preview

Coordinates	7127478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H109 K La N4 O6 P3
Calculated formula	C71 H109 K La N4 O6 P3
SMILES	[La]12([P](c3c(N2c2c(cc(cc2C)C)C)ccc(c3)C)(C(C)C)C(C)C)([P](c2cc(ccc2N1c1c(cc(cc1C)C)C)C)(C(C)C)C(C)C)Pc1c(C)cc(cc1C)C.[K]1234567[O]8CC[N]96CC[O]4CC[O]5CC[N]7(CC[O]2CC[O]3CC9)CC[O]1CC8
Title of publication	A transient lanthanum phosphinidene complex.
Authors of publication	Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	98
Pages of publication	15410 - 15413
a	12.75 ± 0.0008 Å
b	15.9812 ± 0.0008 Å
c	21.2031 ± 0.0014 Å
α	105.285 ± 0.002°
β	94.133 ± 0.003°
γ	109.532 ± 0.003°
Cell volume	3866.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
260647 (current)	2021-01-07	cif/ Updating files of 7127476, 7127477, 7127478, 7127479 Original log message: Adding full bibliography for 7127476--7127479.cif.	7127478.cif
259379	2020-12-01	cif/ Adding structures of 7127476, 7127477, 7127478, 7127479 via cif-deposit CGI script.	7127478.cif