Crystallography Open Database

Information card for entry 7112672

Preview

Coordinates	7112672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cl2 N9 O10 Zn
Calculated formula	C27 H35 Cl2 N9 O10 Zn
Title of publication	Modular 'click' sensors for zinc and their application in vivo
Authors of publication	Jobe, Kajally; Brennan, Caroline H.; Motevalli, Majid; Goldup, Stephen M.; Watkinson, Michael
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2011
Journal volume	47
Journal issue	21
Pages of publication	6036 - 6038
a	12.2193 ± 0.0002 Å
b	12.3857 ± 0.0002 Å
c	42.4545 ± 0.0008 Å
α	90°
β	90.692 ± 0.001°
γ	90°
Cell volume	6424.79 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.322
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Duplicate of	7106413
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7112672.html