Crystallography Open Database

Information card for entry 2012833

2012832 << 2012833 >> 2012834

Preview

Coordinates	2012833.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate
Formula	C18 H50 Cl4 Cr2 N10 O10
Calculated formula	C18 H50 Cl4 Cr2 N10 O10
SMILES	C1C(=O)O[Cr]234([NH]1CC[NH2]2)[NH](CC(=O)O4)CC[NH2]3.C([NH3+])C[NH3+].O.[Cl-].[Cl-].C1C(=O)O[Cr]234([NH]1CC[NH2]2)[NH](CC(=O)O4)CC[NH2]3.O.[Cl-].[Cl-]
Title of publication	Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K
Authors of publication	Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	7
Pages of publication	m409 - m412
a	12.5546 ± 0.0004 Å
b	7.4907 ± 0.0001 Å
c	18.1157 ± 0.0004 Å
α	90°
β	95.939 ± 0.001°
γ	90°
Cell volume	1694.51 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.026
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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