Crystallography Open Database

Information card for entry 4337432

Preview

Coordinates	4337432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H17 Cl2 F5 N2 O Pt
Calculated formula	C29 H17 Cl2 F5 N2 O Pt
SMILES	[Pt]1(c2cccc3ccc4ccc[n]1c4c23)([n]1cccc2cccc(O)c12)c1c(F)c(F)c(F)c(F)c1F.ClCCl
Title of publication	Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.
Authors of publication	Baya, Miguel; Belío, Ursula; Martín, Antonio
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	189 - 200
a	10.37278 ± 0.00016 Å
b	16.566 ± 0.0003 Å
c	15.0527 ± 0.0002 Å
α	90°
β	96.0749 ± 0.0015°
γ	90°
Cell volume	2572.06 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179477 (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 4/33/74.	4337432.cif
106372	2014-03-15	cif/ Adding structures of 4337432, 4337433, 4337434, 4337435, 4337436 via cif-deposit CGI script.	4337432.cif