Test Crystallography Open Database

Information card for entry 2000009

2000008 << 2000009 >> 2000010

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Coordinates	2000009.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H18 Ca O16
Calculated formula	C12 H18 Ca O16
Title of publication	Crystal structure of aqua(citric acid)(hydrogen citrato)calcium monohydrate, [Ca(HC6H5O7)(H3C6H5O7)(H2O)]·H2O, from synchrotron X-ray powder data, and DFT-optimized crystal structure of existing calcium hydrogen citrate trihydrate, [Ca(HC6H5O7)(H2O)3]
Authors of publication	Kaduk, James A.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2020
Journal volume	76
Journal issue	10
Pages of publication	1689 - 1693
a	8.3726 Å
b	10.9031 Å
c	11.0629 Å
α	105.203°
β	100.685°
γ	110.71°
Cell volume	867.234 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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