Test Crystallography Open Database

Information card for entry 2000010

2000009 << 2000010 >> 2000011

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Coordinates	2000010.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Calcium hydrogen citrate trihydrate
Formula	C6 H12 Ca O10
Calculated formula	C6 H12 Ca O10
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	8.7955 Å
b	5.5891 Å
c	23.8176 Å
α	90°
β	116.77°
γ	90°
Cell volume	1045.36 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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