Crystallography Open Database

Information card for entry 7108939

Preview

Coordinates	7108939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.67 H27.33 Br2 Cl1.33 N4 Pt
Calculated formula	C44.6667 H27.3333 Br2 Cl1.33333 N4 Pt
Title of publication	Spin-state control of thermal and photochemical Bergman cyclization
Authors of publication	Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	21
Pages of publication	2145 - 2147
a	13.8145 ± 0.0007 Å
b	13.8947 ± 0.0007 Å
c	16.8785 ± 0.0008 Å
α	67.934 ± 0.001°
β	75.479 ± 0.001°
γ	66.133 ± 0.001°
Cell volume	2727 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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