Crystallography Open Database

Information card for entry 7036975

Preview

Coordinates	7036975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Ca O5
Calculated formula	C10 H8 Ca O5
Title of publication	Synthesis, structure and enhanced photoluminescence properties of two robust, water stable calcium and magnesium coordination networks.
Authors of publication	Xu, Feng; Wang, Hao; Teat, Simon J.; Liu, Wei; Xia, Qibin; Li, Zhong; Li, Jing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20459 - 20463
a	11.6947 ± 0.0004 Å
b	6.8463 ± 0.0003 Å
c	12.2702 ± 0.0004 Å
α	90°
β	90.406 ± 0.0016°
γ	90°
Cell volume	982.39 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
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
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7036975.cif
171252	2015-12-09	cif/ Updating files of 7036974, 7036975 Original log message: Adding full bibliography for 7036974--7036975.cif.	7036975.cif
169879	2015-10-30	cif/ Adding structures of 7036974, 7036975 via cif-deposit CGI script.	7036975.cif