Crystallography Open Database

Information card for entry 7702308

Preview

Coordinates	7702308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Mo N5 O6 P4
Calculated formula	C26 H30 Mo N5 O6 P4
Title of publication	Synthesis, reactivity and structural characterisation of bicyclic tetraphosphapentazanes
Authors of publication	Thirupathi, Natesan; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	9
Pages of publication	1469
a	17.299 ± 0.005 Å
b	12.324 ± 0.005 Å
c	17.412 ± 0.006 Å
α	90°
β	111.57 ± 0.02°
γ	90°
Cell volume	3452 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for all reflections	0.1963
Weighted residual factors for significantly intense reflections	0.1588
Goodness-of-fit parameter for all reflections	1.049
Goodness-of-fit parameter for significantly intense reflections	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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