Crystallography Open Database

Information card for entry 4124129

Preview

Coordinates	4124129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H136 Cl2 N4 P4 Ti2
Calculated formula	C93 H136 Cl2 N4 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	11.2002 ± 0.0007 Å
b	11.8465 ± 0.0007 Å
c	18.7423 ± 0.0011 Å
α	78.185 ± 0.003°
β	83.411 ± 0.003°
γ	67.564 ± 0.002°
Cell volume	2248 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 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	0.0447
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4124129.cif
152859	2015-08-05	cif/ Updating files of 4124129, 4124130, 4124131, 4124132, 4124133 Original log message: Adding full bibliography for 4124129--4124133.cif.	4124129.cif
152049	2015-07-15	cif/ Adding structures of 4124129 via cif-deposit CGI script.	4124129.cif