Crystallography Open Database

Information card for entry 7229293

Preview

Coordinates	7229293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H52 N6 Pt
Calculated formula	C65 H52 N6 Pt
SMILES	[Pt]12([n]3c(c4cc(cc(c5c1cccc5)[n]24)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)cccc3)C#Cc1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1
Title of publication	Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree
Authors of publication	Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	74
Pages of publication	46980
a	9.7741 ± 0.0019 Å
b	44.237 ± 0.008 Å
c	11.821 ± 0.002 Å
α	90°
β	99.749 ± 0.004°
γ	90°
Cell volume	5037.3 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0783
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
201805 (current)	2017-10-06	cif/ Adding structures of 7229292, 7229293 via cif-deposit CGI script.	7229293.cif