Crystallography Open Database

Information card for entry 7218790

Preview

Coordinates	7218790.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pt(bpy){NH=C(pz)NC(Ph)=NH}]BF4.H2O
Formula	C21 H20 B F4 N7 O Pt
Calculated formula	C21 H18 B F4 N7 O Pt
SMILES	[Pt]12([n]3c(c4[n]2cccc4)cccc3)NC(=NC(=[NH]1)c1ccccc1)n1nccc1.[B](F)(F)(F)[F-].O
Title of publication	Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents
Authors of publication	Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62186
a	7.6686 ± 0.0018 Å
b	21.278 ± 0.005 Å
c	13.326 ± 0.004 Å
α	90°
β	90.037 ± 0.005°
γ	90°
Cell volume	2174.4 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218790.cif
127513	2014-11-19	cif/ Adding structures of 7218787, 7218788, 7218789, 7218790 via cif-deposit CGI script.	7218790.cif