Crystallography Open Database

Information card for entry 7703951

Preview

Coordinates	7703951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H96 Mg N6 Na2 O2
Calculated formula	C50 H96 Mg N6 Na2 O2
Title of publication	Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.
Authors of publication	Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5257 - 5263
a	12.9924 ± 0.0003 Å
b	14.0108 ± 0.0003 Å
c	15.4464 ± 0.0005 Å
α	90°
β	100.04 ± 0.003°
γ	90°
Cell volume	2768.71 ± 0.13 Å³
Cell temperature	123.25 ± 0.1 K
Ambient diffraction temperature	123.25 ± 0.1 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251615 (current)	2020-05-05	cif/ Updating files of 7703949, 7703950, 7703951 Original log message: Adding full bibliography for 7703949--7703951.cif.	7703951.cif
250035	2020-04-04	cif/ Adding structures of 7703949, 7703950, 7703951 via cif-deposit CGI script.	7703951.cif