Crystallography Open Database

Information card for entry 4516137

Preview

Coordinates	4516137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Cu4 I4 N8 P2
Calculated formula	C38 H38 Cu4 I4 N8 P2
SMILES	c1[n]2c(ncc1)NC[P](c1ccccc1)(c1ccccc1)[Cu]134[I]5[Cu]62([I][Cu]256[I]1[Cu]4([I]3)([n]1cccnc1NC[P]2(c1ccccc1)c1ccccc1)[N]#CC)[N]#CC
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	9.636 ± 0.0002 Å
b	10.2333 ± 0.0003 Å
c	12.8232 ± 0.0003 Å
α	69.01 ± 0.002°
β	81.979 ± 0.002°
γ	71.386 ± 0.002°
Cell volume	1118.36 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0236
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
226136 (current)	2019-11-10	cif/ Adding structures of 4516135, 4516136, 4516137, 4516138, 4516139, 4516140 via cif-deposit CGI script.	4516137.cif