Crystallography Open Database

Information card for entry 1550516

Preview

Coordinates	1550516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55
Calculated formula	C125.2 H184.5 As5 Br14.55 Cl6.8 Cr2 Cu14.55 Fe11 N0.9 P55
Title of publication	From Nano-Balls to Nano-Bowls
Authors of publication	Brake, Helena; Presypkina, Eugenia V.; Heindl, Claudia; Virovets, Alexander Viktorovich; Kremer, Werner; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2019
a	27.08802 ± 0.00013 Å
b	33.62013 ± 0.00012 Å
c	25.36593 ± 0.00011 Å
α	90°
β	103.351 ± 0.0005°
γ	90°
Cell volume	22476.5 ± 0.17 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	10
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6199 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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