Crystallography Open Database

Information card for entry 1520055

1520054 << 1520055 >> 1520056

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Coordinates	1520055.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Complex4
Formula	C23 H33 Cl4 N5 Nb2
Calculated formula	C23 H33 Cl4 N5 Nb2
SMILES	[Nb]123([Nb]([Cl]1)(Cl)(Cl)(N2C(C)(C)C)(N3C(C)(C)C)[n]1ccccc1)(Cl)([n]1ccccc1)[n]1ccccc1
Title of publication	Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.
Authors of publication	Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	12
Pages of publication	6004 - 6009
a	8.5962 ± 0.0012 Å
b	11.0422 ± 0.0016 Å
c	15.754 ± 0.002 Å
α	87.369 ± 0.006°
β	83.921 ± 0.006°
γ	77.279 ± 0.006°
Cell volume	1450.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
140092 (current)	2015-07-05	cif/ Updating files of 1520054, 1520055, 1520056, 1520057 Original log message: Adding full bibliography for 1520054--1520057.cif.	1520055.cif
137494	2015-05-29	cif/ Adding structures of 1520054, 1520055, 1520056, 1520057 via cif-deposit CGI script.	1520055.cif