Crystallography Open Database

Information card for entry 4072503

Preview

Coordinates	4072503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 N2 O0.5 Pt S2
Calculated formula	C39.976 H29.972 N2 O0.5 Pt S1.996
Title of publication	A Photochromic Platinum(II) Bis(alkynyl) Complex Containing a Versatile 5,6-Dithienyl-1,10-phenanthroline
Authors of publication	Lee, Jason Ka-Wai; Ko, Chi-Chiu; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	1
Pages of publication	12
a	26.054 ± 0.004 Å
b	26.054 ± 0.004 Å
c	21.715 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14740 ± 4 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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