Crystallography Open Database

Information card for entry 7708632

Preview

Coordinates	7708632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 N P2
Calculated formula	C32 H35 N P2
SMILES	P(N(P(c1ccc(cc1)C)c1ccc(cc1)C)C1CCC1)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)
Authors of publication	Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas
Journal of publication	Dalton Transactions
Year of publication	2021
a	11.4833 ± 0.0012 Å
b	12.0246 ± 0.0013 Å
c	12.2349 ± 0.0013 Å
α	64.285 ± 0.005°
β	81.986 ± 0.005°
γ	68.172 ± 0.005°
Cell volume	1412.5 ± 0.3 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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