Crystallography Open Database

Information card for entry 7202289

7202288 << 7202289 >> 7202290

Preview

Coordinates	7202289.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((PymPO)Zn(H2O))
Formula	C8 H12 N4 O8 P2 Zn
Calculated formula	C8 H12 N4 O8 P2 Zn
Title of publication	5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers
Authors of publication	Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	1372
a	12.5436 ± 0.0014 Å
b	7.0918 ± 0.0008 Å
c	15.5908 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1386.9 ± 0.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
180353 (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 7/20/22.	7202289.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202289.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202289.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202289.cif