Crystallography Open Database

Information card for entry 7039952

Preview

Coordinates	7039952.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Compound-4
Formula	C30 H34 Cl Gd N6 Na Ni O27 P6
Calculated formula	C30 H34 Cl Gd N6 Na Ni O27 P6
Title of publication	Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.
Authors of publication	Köhler, C; Rentschler, E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12854 - 12861
a	22.6611 ± 0.0011 Å
b	16.9747 ± 0.0008 Å
c	15.2845 ± 0.0007 Å
α	90°
β	106.794 ± 0.002°
γ	90°
Cell volume	5628.7 ± 0.5 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	9
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186441 (current)	2016-09-10	cif/ Updating files of 7039946, 7039947, 7039948, 7039949, 7039950, 7039951, 7039952, 7039953 Original log message: Adding full bibliography for 7039946--7039953.cif.	7039952.cif
184546	2016-07-20	cif/ Adding structures of 7039946, 7039947, 7039948, 7039949, 7039950, 7039951, 7039952, 7039953 via cif-deposit CGI script.	7039952.cif