Crystallography Open Database

Information card for entry 4307303

Preview

Coordinates	4307303.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound_4
Chemical name	calcium leucinate trihydrate
Formula	C12 H30 Ca N2 O7
Calculated formula	C12 H28 Ca N2 O7
Title of publication	Coordination of Biologically Important α-Amino Acids to Calcium(II) at High pH: Insights from Crystal Structures of Calcium α-Aminocarboxylates
Authors of publication	Stefan Fox; Insa Büsching; Walter Barklage; Henry Strasdeit
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	818 - 824
a	7.595 ± 0.001 Å
b	8.433 ± 0.001 Å
c	15.127 ± 0.003 Å
α	83.89 ± 0.01°
β	80.81 ± 0.02°
γ	77.48 ± 0.01°
Cell volume	931.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179111 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307303.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307303.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307303.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307303.cif