Crystallography Open Database

Information card for entry 7715255

Preview

Coordinates	7715255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C206 H209 K0.2 N7 O48 V8
Calculated formula	C198 H197 K0.198 N3 O48 V8
Title of publication	Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.
Authors of publication	Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	12
Pages of publication	5351 - 5355
a	21.378 ± 0.003 Å
b	19.274 ± 0.003 Å
c	25.446 ± 0.004 Å
α	90°
β	111.554 ± 0.002°
γ	90°
Cell volume	9752 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2133
Weighted residual factors for all reflections included in the refinement	0.2534
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.6943 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290979 (current)	2024-04-05	cif/ Updating files of 7715254, 7715255, 7715256, 7715257, 7715258, 7715259, 7715260, 7715261 Original log message: Adding full bibliography for 7715254--7715261.cif.	7715255.cif
289972	2024-02-28	cif/ Adding structures of 7715254, 7715255, 7715256, 7715257, 7715258, 7715259, 7715260, 7715261 via cif-deposit CGI script.	7715255.cif