Crystallography Open Database

Information card for entry 7220407

7220406 << 7220407 >> 7220408

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Structure parameters

Common name	7
Formula	C19 H30 Cr F6 N4 O5 P
Calculated formula	C19 H30 Cr F6 N4 O5 P
SMILES	[Cr]123([O]=C(C)C(=C(O1)C)C#N)(OC(=C(C(=[O]2)C)C#N)C)[NH2][C@H]1[C@H]([NH2]3)CCCC1.[P](F)(F)(F)(F)(F)[F-].OC
Title of publication	Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)
Authors of publication	Wang, Ai; Merkens, Carina; Englert, Ulli
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	23
Pages of publication	4293
a	8.287 ± 0.0017 Å
b	14.806 ± 0.003 Å
c	21.367 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2621.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220407.cif
138554	2015-06-07	cif/ Updating files of 7220402, 7220403, 7220404, 7220405, 7220406, 7220407, 7220408 Original log message: Adding full bibliography for 7220402--7220408.cif.	7220407.cif
135849	2015-05-09	cif/ Adding structures of 7220402, 7220403, 7220404, 7220405, 7220406, 7220407, 7220408 via cif-deposit CGI script.	7220407.cif