Crystallography Open Database

Information card for entry 2004505

2004504 << 2004505 >> 2004506

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Coordinates	2004505.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H6 Ca O6
Calculated formula	C10 H6 Ca O6
Title of publication	Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate
Authors of publication	Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	2
Pages of publication	347 - 351
a	18.262 ± 0.004 Å
b	12.956 ± 0.007 Å
c	26.52 ± 0.02 Å
α	90°
β	90.4 ± 0.03°
γ	90°
Cell volume	6275 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2021
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for all reflections	0.1483
Weighted residual factors for significantly intense reflections	0.1156
Goodness-of-fit parameter for all reflections	0.93
Goodness-of-fit parameter for significantly intense reflections	1.175
Diffraction radiation wavelength	1.54183 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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