Crystallography Open Database

Information card for entry 1544050

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Coordinates	1544050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 O7 Sr
Calculated formula	C8 H10 O7 Sr
Title of publication	Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer
Authors of publication	Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	503 - 506
a	6.8224 ± 0.0005 Å
b	21.8495 ± 0.0015 Å
c	7.2677 ± 0.0006 Å
α	90°
β	92.233 ± 0.002°
γ	90°
Cell volume	1082.54 ± 0.14 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544050.cif
186289	2016-09-08	cif/ Adding structures of 1544050 via cif-deposit CGI script.	1544050.cif