Crystallography Open Database

Information card for entry 4516136

Preview

Coordinates	4516136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Br Cu N3 P
Calculated formula	C17 H16 Br Cu N3 P
Title of publication	Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.
Authors of publication	Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	12
Pages of publication	16601 - 16614
a	13.4532 ± 0.0006 Å
b	7.4445 ± 0.0002 Å
c	17.5935 ± 0.0008 Å
α	90°
β	106.285 ± 0.004°
γ	90°
Cell volume	1691.34 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
226136 (current)	2019-11-10	cif/ Adding structures of 4516135, 4516136, 4516137, 4516138, 4516139, 4516140 via cif-deposit CGI script.	4516136.cif