Crystallography Open Database

Information card for entry 4312015

4312014 << 4312015 >> 4312016

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Structure parameters

Formula	C29 H49 I N3 P
Calculated formula	C29 H49 I N3 P
SMILES	IP(=Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
Title of publication	Ylidene→Iminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines
Authors of publication	Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7502 - 7507
a	8.4383 ± 0.0005 Å
b	9.5486 ± 0.0006 Å
c	21.4547 ± 0.0014 Å
α	77.177 ± 0.001°
β	80.761 ± 0.001°
γ	65.159 ± 0.001°
Cell volume	1525.19 ± 0.17 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0705
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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