Crystallography Open Database

Information card for entry 7126946

Preview

Coordinates	7126946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Cl N5 O6 Pt
Calculated formula	C15 H12 Cl N5 O6 Pt
SMILES	[Pt]12(Cl)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.N(=O)(=O)[O-].N(=O)(=O)O
Title of publication	Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.
Authors of publication	Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	70
Pages of publication	10175 - 10178
a	9.0638 ± 0.0001 Å
b	9.7744 ± 0.0001 Å
c	10.3917 ± 0.0001 Å
α	68.652 ± 0.001°
β	84.693 ± 0.001°
γ	89.76 ± 0.001°
Cell volume	853.359 ± 0.016 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255940 (current)	2020-09-06	cif/ Updating files of 7126945, 7126946 Original log message: Adding full bibliography for 7126945--7126946.cif.	7126946.cif
254446	2020-07-22	cif/ Adding structures of 7126945, 7126946 via cif-deposit CGI script.	7126946.cif