Crystallography Open Database

Information card for entry 4343171

Preview

Coordinates	4343171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H55 N3 Nb P Si
Calculated formula	C49 H55 N3 Nb P Si
SMILES	[Nb]1234([P](c5ccccc5[CH]4=[N]1c1cc(cc(c1)C)C)(c1ccccc1CN2c1cc(cc(c1)C)C)c1ccccc1CN3c1cc(cc(c1)C)C)C[Si](C)(C)C
Title of publication	Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.
Authors of publication	Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	4094 - 4103
a	10.59319 ± 0.00018 Å
b	13.5033 ± 0.0002 Å
c	16.0085 ± 0.0003 Å
α	82.8627 ± 0.0015°
β	88.6467 ± 0.0015°
γ	70.9964 ± 0.0016°
Cell volume	2147.98 ± 0.07 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
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
137925 (current)	2015-06-04	cif/ Adding structures of 4343170, 4343171, 4343172, 4343173, 4343174, 4343175 via cif-deposit CGI script.	4343171.cif