Crystallography Open Database

Information card for entry 7226212

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Structure parameters

Chemical name	SS12B
Formula	C21 H22 Cu N4 O7
Calculated formula	C21 H22 Cu N4 O7
SMILES	[Cu]12(OC(=O)[C@H]([NH2]1)Cc1ccccc1)([OH2])[n]1c3c(ccc1)ccc1c3[n]2ccc1.O=N(=O)[O-].O
Title of publication	Synthesis, characterization, crystal structure of RNA targeted L- and D-phenylalanine-(1, 10-phen)-copper(II) conjugate complexes; Comparative in vitro RNA binding profile of enantiomers and their biological evaluation by morphological studies and antibacterial activity
Authors of publication	Sharma, Surbhi; Toupet, Loïc; Ahmad, Musheer; Arjmand, Farukh
Journal of publication	RSC Adv.
Year of publication	2016
a	5.728 ± 0.005 Å
b	20.587 ± 0.005 Å
c	9.252 ± 0.005 Å
α	90°
β	98.308 ± 0.005°
γ	90°
Cell volume	1079.6 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7226212.cif
185747	2016-08-11	cif/ Adding structures of 7226211, 7226212 via cif-deposit CGI script.	7226212.cif