Crystallography Open Database

Information card for entry 7040764

Preview

Coordinates	7040764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H26.5 Cl6.5 N4 P2 Pt
Calculated formula	C28 H24 Cl2 N4 P2 Pt
SMILES	[Pt]1(Cl)(Cl)[P](c2ncccc2)(c2ncccc2)Cc2c(cccc2)C[P]1(c1ccccn1)c1ncccc1
Title of publication	Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.
Authors of publication	Vaughan, Teresa F.; Spencer, John L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	16826 - 16837
a	14.5058 ± 0.0005 Å
b	10.2019 ± 0.0005 Å
c	22.9424 ± 0.0008 Å
α	90°
β	91.017 ± 0.003°
γ	90°
Cell volume	3394.6 ± 0.2 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188230 (current)	2016-11-08	cif/ Updating files of 7040761, 7040762, 7040763, 7040764 Original log message: Adding full bibliography for 7040761--7040764.cif.	7040764.cif
186832	2016-09-29	cif/ Adding structures of 7040761, 7040762, 7040763, 7040764 via cif-deposit CGI script.	7040764.cif