Crystallography Open Database

Information card for entry 7239301

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Coordinates	7239301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Ca O13 P2
Calculated formula	C16 H22 Ca O13 P2
Title of publication	Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions
Authors of publication	Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	45
Pages of publication	23119
a	16.6389 ± 0.0022 Å
b	7.1141 ± 0.0012 Å
c	9.104 ± 0.0017 Å
α	90°
β	95.46 ± 0.01°
γ	90°
Cell volume	1072.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.0961
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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