Crystallography Open Database

Information card for entry 7205880

7205879 << 7205880 >> 7205881

Preview

Coordinates	7205880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(((2PyHCH2PO3H)Mn(H2O))(ClO4))N
Formula	C12 H18 Cl2 Mn N2 O16 P2
Calculated formula	C12 H18 Cl2 Mn N2 O16 P2
Title of publication	2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates
Authors of publication	Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3551
a	13.3278 ± 0.0017 Å
b	8.2658 ± 0.001 Å
c	10.1631 ± 0.0013 Å
α	90°
β	97.45 ± 0.002°
γ	90°
Cell volume	1110.2 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
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	0.0893
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2358
Weighted residual factors for all reflections included in the refinement	0.2525
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205880.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205880.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205880.cif
21042	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205880, 7205881, 7205882, 7205883, 7205884, 7205885, 7205886, 7205887 via cif-deposit CGI script.	7205880.cif