Crystallography Open Database

Information card for entry 7708634

Preview

Coordinates	7708634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 Cl N O3 P2 Tc
Calculated formula	C37 H39 Cl N O3 P2 Tc
SMILES	[P]1(c2ccc(cc2)C)(c2ccc(cc2)C)N(C2CCCCC2)[P](c2ccc(cc2)C)(c2ccc(cc2)C)[Tc]1(C#[O])(C#[O])(C#[O])Cl
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	9.6184 ± 0.0003 Å
b	9.8959 ± 0.0004 Å
c	10.6919 ± 0.0004 Å
α	92.434 ± 0.003°
β	111.683 ± 0.003°
γ	104.288 ± 0.003°
Cell volume	906.27 ± 0.06 Å³
Cell temperature	182.9 ± 0.6 K
Ambient diffraction temperature	182.9 ± 0.6 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
270125 (current)	2021-10-29	cif/ Adding structures of 7708632, 7708633, 7708634, 7708635 via cif-deposit CGI script.	7708634.cif