Crystallography Open Database

Information card for entry 1545614

Preview

Coordinates	1545614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 N P Pt
Calculated formula	C27 H26 N P Pt
SMILES	[Pt]1(c2ccccc2c2[n]1cccc2)([P](CC=C)(c1ccccc1)c1ccccc1)C
Title of publication	Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane
Authors of publication	Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	10
Pages of publication	3798 - 3810
a	9.759 ± 0.002 Å
b	10.351 ± 0.002 Å
c	23.222 ± 0.005 Å
α	90°
β	100.86 ± 0.03°
γ	90°
Cell volume	2303.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0777
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1545614.cif
194378	2017-03-21	cif/ Adding structures of 1545613, 1545614, 1545615 via cif-deposit CGI script.	1545614.cif