Crystallography Open Database

Information card for entry 2107463

Preview

Coordinates	2107463.cif
Original IUCr paper	HTML

Structure parameters

Common name	Calcium Pyrophosphate Dihydrate
Chemical name	Calcium Pyrophosphate Dihydrate
Formula	Ca2 H4 O9 P2
Calculated formula	Ca2 H4 O9 P2
Title of publication	Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis
Authors of publication	Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	1
Pages of publication	96 - 101
a	12.584 ± 0.0014 Å
b	9.2184 ± 0.001 Å
c	6.7372 ± 0.0007 Å
α	90°
β	104.949 ± 0.011°
γ	90°
Cell volume	755.09 ± 0.15 Å³
Cell temperature	291 K
Ambient diffraction temperature	291 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor R(I) for significantly intense reflections	6.903
Goodness-of-fit parameter for all reflections	2.2038
Method of determination	powder diffraction
Diffraction radiation wavelength	2.423 Å
Diffraction radiation type	ConstantWavelengthNeutronDiffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176606 (current)	2016-02-17	cif/ Updating files of 2107462, 2107463 Original log message: Adding full bibliography for 2107462--2107463.cif.	2107463.cif
176555	2016-02-17	cif/ Updating files of 2107462, 2107463 Original log message: Adding full bibliography for 2107462--2107463.cif.	2107463.cif
175330	2016-01-31	cif/ hkl/ Adding structures of 2107462, 2107463 via cif-deposit CGI script.	2107463.cif