Crystallography Open Database

Information card for entry 1568458

Preview

Coordinates	1568458.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cyano[acetyl 3,5-di(2-pyridyl)phenyl]platinum
Formula	C19 H13 N3 O Pt
Calculated formula	C19 H13 N3 O Pt
SMILES	[Pt]12(c3c(cc(C(=O)C)cc3c3cccc[n]13)c1[n]2cccc1)C#N
Title of publication	Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties.
Authors of publication	Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R.
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	411 - 433
a	6.8945 ± 0.0002 Å
b	15.5988 ± 0.0004 Å
c	14.7127 ± 0.0005 Å
α	90°
β	102.975 ± 0.003°
γ	90°
Cell volume	1541.89 ± 0.08 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	5
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	0.0501
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
286130 (current)	2023-09-05	cif/ Updating files of 1568457, 1568458, 1568459 Original log message: Adding full bibliography for 1568457--1568459.cif.	1568458.cif
281008	2023-02-20	cif/ Adding structures of 1568457, 1568458, 1568459 via cif-deposit CGI script.	1568458.cif