Crystallography Open Database

Information card for entry 4516139

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Structure parameters

Formula	C34 H32 Ag2 B2 F8 N6 P2
Calculated formula	C34 H32 Ag2 B2 F8 N6 P2
SMILES	[B](F)(F)(F)[F-].c1[n]2c(ncc1)NC[P](c1ccccc1)(c1ccccc1)[Ag][n]1cccnc1NC[P]([Ag]2)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
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	9.3737 ± 0.0006 Å
b	10.3726 ± 0.0006 Å
c	11.0196 ± 0.0008 Å
α	108.252 ± 0.006°
β	102.115 ± 0.006°
γ	110.351 ± 0.005°
Cell volume	890.77 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2136
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4516139.cif
226136	2019-11-10	cif/ Adding structures of 4516135, 4516136, 4516137, 4516138, 4516139, 4516140 via cif-deposit CGI script.	4516139.cif