Crystallography Open Database

Information card for entry 1520077

1520076 << 1520077 >> 1520078

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Coordinates	1520077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H108 Ag2 B20 P6
Calculated formula	C108 H108 Ag2 B20 P6
Title of publication	Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane
Authors of publication	Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8870
a	12.9112 ± 0.0009 Å
b	25.0981 ± 0.0018 Å
c	21.0634 ± 0.0014 Å
α	90°
β	131.739 ± 0.001°
γ	90°
Cell volume	5093.1 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0723
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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