Crystallography Open Database

Information card for entry 4345520

Preview

Coordinates	4345520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 Cl4 N3 Pt
Calculated formula	C29 H21 Cl4 N3 Pt
SMILES	[Pt]12(N(c3c4[n]2cc2c(c4cc(c3)C)cccc2)c2c3[n]1cc1c(c3cc(c2)C)cccc1)Cl.ClC(Cl)Cl
Title of publication	Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.
Authors of publication	Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3674 - 3685
a	7.106 ± 0.0003 Å
b	13.4541 ± 0.0005 Å
c	14.0548 ± 0.0005 Å
α	101.356 ± 0.0016°
β	100.544 ± 0.0016°
γ	98.51 ± 0.0016°
Cell volume	1271.34 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
194804 (current)	2017-04-04	cif/ Updating files of 4345513, 4345514, 4345515, 4345516, 4345517, 4345518, 4345519, 4345520 Original log message: Adding full bibliography for 4345513--4345520.cif.	4345520.cif
194052	2017-03-08	cif/ Adding structures of 4345513, 4345514, 4345515, 4345516, 4345517, 4345518, 4345519, 4345520 via cif-deposit CGI script.	4345520.cif