Crystallography Open Database

Information card for entry 4124131

Preview

Coordinates	4124131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H160 K2 N6 O2 P4 Ti2
Calculated formula	C110 H160 K2 N6 O2 P4 Ti2
Title of publication	Mononuclear and Terminally Bound Titanium Nitrides.
Authors of publication	Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	28
Pages of publication	8884 - 8887
a	25.354 ± 0.0006 Å
b	32.8324 ± 0.0008 Å
c	12.7608 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10622.5 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124131.cif
152859	2015-08-05	cif/ Updating files of 4124129, 4124130, 4124131, 4124132, 4124133 Original log message: Adding full bibliography for 4124129--4124133.cif.	4124131.cif
152051	2015-07-15	cif/ Adding structures of 4124131 via cif-deposit CGI script.	4124131.cif