Crystallography Open Database

Information card for entry 7701335

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Structure parameters

Formula	C51 H58 Mo N O5 P
Calculated formula	C51 H58 Mo N O5 P
Title of publication	Deoxydehydration of Polyols Catalyzed by a Molybdenum Di-oxo-Complex Supported by a Dianionic ONO Pincer Ligand.
Authors of publication	Tran, Randy; Kilyanek, Stefan M.
Journal of publication	Dalton Transactions
Year of publication	2019
a	9.9185 ± 0.0002 Å
b	14.9484 ± 0.0004 Å
c	16.3217 ± 0.0004 Å
α	97.5508 ± 0.001°
β	105.188 ± 0.0008°
γ	102.492 ± 0.0008°
Cell volume	2234.25 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701335.cif
219232	2019-10-10	cif/ Adding structures of 7701335, 7701336 via cif-deposit CGI script.	7701335.cif