Crystallography Open Database

Information card for entry 4039030

Preview

Coordinates	4039030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Mo N2 O5.5
Calculated formula	C17 H16 Mo N2 O5.5
Title of publication	Synthesis, Theoretical Study and Catalytic Application of Oxidometal (Mo or V) Complexes: Unexpected Coordination Due to Ligand Rearrangement through Metal-Mediated C-C Bond Formation
Authors of publication	Sagarika Pasayat; Michael Böhme; Sarita Dhaka; Subhashree P. Dash; Sudarshana Majumder; Mannar R. Maurya; Winfried Plass; Werner Kaminsky; Rupam Dinda
Journal of publication	European Journal of Inorganic Chemistry
Year of publication	2016
Journal volume	2016
Journal issue	10
Pages of publication	1604 - 1618
a	8.4739 ± 0.0005 Å
b	9.6684 ± 0.0005 Å
c	11.5506 ± 0.0007 Å
α	94.101 ± 0.001°
β	109.953 ± 0.001°
γ	96.811 ± 0.001°
Cell volume	876.87 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297703 (current)	2025-02-12	cif/ Adding structures of 4039030, 4039031 via cif-deposit CGI script.	4039030.cif