Crystallography Open Database

Information card for entry 8102536

Preview

Coordinates	8102536.cif

Structure parameters

Common name	Bis[aqua[1,3-propanediaminediacetato]cobalt(II) ]dihydrate
Chemical name	Bis[aqua[1,3-propanediaminediacetato]cobalt(II) ]dihydrate
Formula	C14 H32 Co2 N4 O14
Calculated formula	C14 H36 Co2 N4 O14
Title of publication	Crystal structure of aqua[1,3-propanediaminediacetato]cobalt(II) dihydrate, Co(H2O)(C7H12N2O4) · 2H2O
Authors of publication	Huan-Huan Chen; Dao-Cheng Xia; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	623
a	9.134 ± 0.005 Å
b	7.704 ± 0.005 Å
c	16.674 ± 0.005 Å
α	90 ± 0.005°
β	102.517 ± 0.005°
γ	90 ± 0.005°
Cell volume	1145.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102536.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102536.cif
13275	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102536 via cif-deposit CGI script.	8102536.cif