Crystallography Open Database

Information card for entry 7248522

Preview

Coordinates	7248522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N3 O2 Pt
Calculated formula	C27 H29 N3 O2 Pt
SMILES	[Pt]12(c3c(NC(=[N]2c2ccc(cc2)C)Nc2ccc(cc2)C)ccc(c3)C)OC(=CC(=[O]1)C)C
Title of publication	Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands
Authors of publication	Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	19
Pages of publication	13291 - 13305
a	11.0129 ± 0.0007 Å
b	11.7585 ± 0.0008 Å
c	20.8975 ± 0.0011 Å
α	105.026 ± 0.005°
β	96.671 ± 0.005°
γ	95.534 ± 0.005°
Cell volume	2573.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1699
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
291344 (current)	2024-04-24	cif/ Adding structures of 7248514, 7248515, 7248516, 7248517, 7248518, 7248519, 7248520, 7248521, 7248522 via cif-deposit CGI script.	7248522.cif