Crystallography Open Database

Information card for entry 4339926

Preview

Coordinates	4339926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 N6 Pt
Calculated formula	C40 H40 N6 Pt
SMILES	[Pt]12([n]3cc4ccccc4cc3c3n1nc1c3[C@H]3CC[C@@]1(C3(C)C)C)[n]1cc3ccccc3cc1c1n2nc2c1[C@H]1CC[C@@]2(C1(C)C)C
Title of publication	Luminescent platinum(II) complexes containing isoquinolinyl indazolate ligands: synthetic reaction pathway and photophysical properties.
Authors of publication	Chang, Sheng-Yuan; Kavitha, Jakka; Hung, Jui-Yi; Chi, Yun; Cheng, Yi-Ming; Li, Elise Y.; Chou, Pi-Tai; Lee, Gene-Hsiang; Carty, Arthur J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7064 - 7074
a	7.0868 ± 0.0003 Å
b	16.9811 ± 0.0008 Å
c	30.3358 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3650.7 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.295
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
179502 (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 4/33/99.	4339926.cif
117619	2014-06-15	cif/ Adding structures of 4339926 via cif-deposit CGI script.	4339926.cif