Crystallography Open Database

Information card for entry 4132420

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Coordinates	4132420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.77 H76.77 Cl2.31 Si4
Calculated formula	C64.77 H76.77 Cl2.31 Si4
Title of publication	Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.
Authors of publication	Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	20
Pages of publication	6245 - 6248
a	12.3113 ± 0 Å
b	17.1071 ± 0.0002 Å
c	17.4051 ± 0.0002 Å
α	95.068 ± 0.011°
β	109.078 ± 0.019°
γ	109.676 ± 0.01°
Cell volume	3180 ± 0.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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