Crystallography Open Database

Information card for entry 7248520

Preview

Coordinates	7248520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N4 O5 Pt
Calculated formula	C28 H26 N4 O5 Pt
SMILES	[Pt]12(c3c(NC(=[N]1c1ccccc1OC)Nc1ccccc1OC)c(OC)ccc3)OC(=O)c1[n]2cccc1
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	9.9894 ± 0.0003 Å
b	22.7931 ± 0.0007 Å
c	11.6752 ± 0.0003 Å
α	90°
β	93.968 ± 0.003°
γ	90°
Cell volume	2651.95 ± 0.13 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	0.047
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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.	7248520.cif