Crystallography Open Database

Information card for entry 7056655

Preview

Coordinates	7056655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H45 Cl N2 P2 Pt2
Calculated formula	C58 H45 Cl N2 P2 Pt2
SMILES	[Pt]1(c2cccc3ccc4ccc[n]1c4c23)([P](c1ccccc1)(c1ccccc1)C[P]([Pt]1(c2cccc3ccc4ccc[n]1c4c23)Cl)(c1ccccc1)c1ccccc1)c1ccc(C)cc1
Title of publication	Photophysical Study on Unsymmetrical Binuclear Cycloplatinated(II) Complexes
Authors of publication	Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Kubicki, Maciej; Rashidi, Mehdi
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	22
Pages of publication	13293 - 13302
a	20.0996 ± 0.0003 Å
b	11.2677 ± 0.0002 Å
c	20.9221 ± 0.0004 Å
α	90°
β	96.228 ± 0.002°
γ	90°
Cell volume	4710.39 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0488
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056655.cif
201681	2017-10-05	cif/ Adding structures of 7056655, 7056656 via cif-deposit CGI script.	7056655.cif