Crystallography Open Database

Information card for entry 4330518

Preview

Coordinates	4330518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 N6 O11 P2 V2
Calculated formula	C44 H38 N6 O11 P2 V2
Title of publication	Pyro without Fire: Synthesis, Structure, and Reactivity of a Dimeric Vanadyl Pyrophosphate Coordination Complex
Authors of publication	Nadia Marino; Susan K. Hanson; Peter Müller; Robert P. Doyle
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10077 - 10079
a	25.521 ± 0.0018 Å
b	14.1139 ± 0.001 Å
c	17.2119 ± 0.0012 Å
α	90°
β	126.084 ± 0.001°
γ	90°
Cell volume	5010.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330518.cif
79789	2013-04-05	cif/ Adding structures of 4330518 via cif-deposit CGI script.	4330518.cif