Crystallography Open Database

Information card for entry 4345840

Preview

Coordinates	4345840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Br Cl N2 Pt
Calculated formula	C16 H10 Br Cl N2 Pt
SMILES	[Pt]12(c3c(c4[n]1cccc4)cc(Br)cc3c1[n]2cccc1)Cl
Title of publication	Excimer-Monomer Photoluminescence Mechanochromism and Vapochromism of Pentiptycene-Containing Cyclometalated Platinum(II) Complexes.
Authors of publication	Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	4978 - 4989
a	9.255 ± 0.0005 Å
b	11.4996 ± 0.0007 Å
c	13.95 ± 0.0008 Å
α	96.103 ± 0.005°
β	97.521 ± 0.005°
γ	98.582 ± 0.005°
Cell volume	1443.39 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0662
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196001 (current)	2017-05-04	cif/ Adding structures of 4345839, 4345840 via cif-deposit CGI script.	4345840.cif