Crystallography Open Database

Information card for entry 7216598

Preview

Coordinates	7216598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H10 Cu O8
Calculated formula	C3 H10 Cu O8
Title of publication	Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)
Authors of publication	Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	107
Pages of publication	631
a	5.241 ± 0.001 Å
b	7.584 ± 0.0015 Å
c	10.219 ± 0.002 Å
α	106.53 ± 0.03°
β	99.52 ± 0.03°
γ	93.85 ± 0.03°
Cell volume	381.22 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
180496 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65.	7216598.cif
116865	2014-06-14	cif/ Adding structures of 7216595, 7216596, 7216597, 7216598, 7216599 via cif-deposit CGI script.	7216598.cif