Crystallography Open Database

Information card for entry 7701991

7701990 << 7701991 >> 7701992

Preview

Coordinates	7701991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H126 N2 Na2 Ni2 O8 P2
Calculated formula	C84 H126 N2 Na2 Ni2 O8 P2
SMILES	[Ni]12([P](C=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C(C)C)C(C)C)[OH][Na]([O]1CCCC1)([O](CC)CC)[O]=C(c1ccc([Ni]3([P](C=C(N3c3c(cccc3C(C)C)C(C)C)c3ccccc3)(C(C)C)C(C)C)[OH][Na]([O]=C(c3ccc2cc3)C)([O]2CCCC2)[O](CC)CC)cc1)C
Title of publication	Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.
Authors of publication	Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	2
Pages of publication	322 - 335
a	11.604 ± 0.006 Å
b	12.092 ± 0.007 Å
c	18.006 ± 0.01 Å
α	82.74 ± 0.03°
β	75.53 ± 0.02°
γ	64.7 ± 0.03°
Cell volume	2211 ± 2 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247733 (current)	2020-02-04	cif/ Updating files of 7701989, 7701990, 7701991, 7701992, 7701993 Original log message: Adding full bibliography for 7701989--7701993.cif.	7701991.cif
231109	2019-11-21	cif/ Adding structures of 7701989, 7701990, 7701991, 7701992, 7701993 via cif-deposit CGI script.	7701991.cif