Crystallography Open Database

Information card for entry 2003164

2003163 << 2003164 >> 2003165

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Coordinates	2003164.cif
Original IUCr paper	HTML

Structure parameters

Formula	Br2 Cl2 Cr Cs H18 N6 O8
Calculated formula	Br2 Cl2 Cr Cs H18 N6 O8
SMILES	[Br-].[Cs+].Cl(=O)(=O)(=O)[O-].[Cr]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[Br-].Cl(=O)(=O)(=O)[O-]
Title of publication	Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
Authors of publication	Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
Journal of publication	Acta Crystallographica Section B
Year of publication	1998
Journal volume	54
Journal issue	5
Pages of publication	613 - 625
a	7.369 ± 0.001 Å
b	7.369 ± 0.001 Å
c	27.578 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1296.9 ± 0.3 Å³
Cell temperature	10 ± 2 K
Ambient diffraction temperature	10 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0098
Residual factor for significantly intense reflections	0.0098
Weighted residual factors for all reflections included in the refinement	0.024
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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