Crystallography Open Database

Information card for entry 4337373

Preview

Coordinates	4337373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H84 Cu3 I3 N6 P6
Calculated formula	C114 H84 Cu3 I3 N6 P6
Title of publication	Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.
Authors of publication	Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1370 - 1381
a	20.302 ± 0.002 Å
b	20.302 ± 0.002 Å
c	46.497 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	16597 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2288
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179476 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73.	4337373.cif
106308	2014-03-15	cif/ Adding structures of 4337369, 4337370, 4337371, 4337372, 4337373 via cif-deposit CGI script.	4337373.cif